CID 3001195

Akos024355464

Structural Information

Molecular Formula
C18H12ClNO3S2
SMILES
C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H12ClNO3S2/c19-12-5-8-14(9-6-12)25(21,22)20-13-7-10-16-18(11-13)24-17-4-2-1-3-15(17)23-16/h1-11,20H
InChIKey
WAPRGTDJQGBWIP-UHFFFAOYSA-N
Compound name
4-chloro-N-phenoxathiin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.99472 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.00200 180.4
[M+Na]+ 411.98394 190.3
[M-H]- 387.98744 189.0
[M+NH4]+ 407.02854 193.9
[M+K]+ 427.95788 184.2
[M+H-H2O]+ 371.99198 174.4
[M+HCOO]- 433.99292 186.8
[M+CH3COO]- 448.00857 190.9
[M+Na-2H]- 409.96939 188.6
[M]+ 388.99417 186.0
[M]- 388.99527 186.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.